4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine

C11H16ClN3O — CID 89181981

IUPAC4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine
SMILESCCc1nc(Cl)nc(N2CCOCC2)c1C
InChIInChI=1S/C11H16ClN3O/c1-3-9-8(2)10(14-11(12)13-9)15-4-6-16-7-5-15/h3-7H2,1-2H3
InChIKeyQJFILZROLDLXDB-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.84
Rot. Bonds2

About 4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine

4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine (PubChem CID 89181981) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine
PubChem CID89181981
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine
SMILESCCc1nc(Cl)nc(N2CCOCC2)c1C
InChIInChI=1S/C11H16ClN3O/c1-3-9-8(2)10(14-11(12)13-9)15-4-6-16-7-5-15/h3-7H2,1-2H3
InChIKeyQJFILZROLDLXDB-UHFFFAOYSA-N
XLogP1.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine (CID 89181981) is 4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine is CCc1nc(Cl)nc(N2CCOCC2)c1C.
What is the InChIKey of 4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine?
The InChIKey is QJFILZROLDLXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-9-8(2)10(14-11(12)13-9)15-4-6-16-7-5-15/h3-7H2,1-2H3.
What are the key properties of 4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine?
4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine has a molecular weight of 241.72 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-ethyl-5-methylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 89181981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).